Geometry & MOs

Info

ID:	133077
PubChem CID:	51474327
Reduced:	ClSN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	351.04444
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	3.08
IP(EA), eV:	-9.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC=CC=N1)OC(=O)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations